2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid

C12H12ClFN2O3 — CID 3240174

IUPAC2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O
InChIInChI=1S/C12H12ClFN2O3/c13-10-5-9(14)2-1-8(10)6-15-3-4-16(12(15)19)7-11(17)18/h1-2,5H,3-4,6-7H2,(H,17,18)
InChIKeyZOTKRPMYHQFGQP-UHFFFAOYSA-N
MW286.69 g/mol
LogP1.80
Rot. Bonds4

About 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid

2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid (PubChem CID 3240174) has the molecular formula C12H12ClFN2O3 and a molecular weight of 286.69 g/mol. Its IUPAC name is 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid
PubChem CID3240174
Molecular FormulaC12H12ClFN2O3
Molecular Weight286.69 g/mol
Exact Mass286.05
IUPAC Name2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O
InChIInChI=1S/C12H12ClFN2O3/c13-10-5-9(14)2-1-8(10)6-15-3-4-16(12(15)19)7-11(17)18/h1-2,5H,3-4,6-7H2,(H,17,18)
InChIKeyZOTKRPMYHQFGQP-UHFFFAOYSA-N
XLogP1.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.69
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(2,4-Dichlorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetic acid
CID 2767613
3-[(3,4-Dichlorophenyl)methyl]-2,4,5-trioxo-1-imidazolidineacetic acid
CID 3843961
Ethyl 3-[(2,6-dichlorophenyl)methyl]-2,4,5-trioxo-1-imidazolidineacetate
CID 2763423
Ethyl 2-[3-(2-chloro-6-fluorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetate
CID 2767597
2-[3-(3-Fluorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetic acid
CID 3749771
[3-(4-Fluorobenzyl)-2-oxoimidazolidin-1-yl]acetic acid
CID 5076480
[3-(2-Chlorobenzyl)-2-oxoimidazolidin-1-yl]acetic acid
CID 3237557
2-[3-(2-Chloro-6-fluorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetic acid
CID 2767599
2-[3-(2-Fluorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetic acid
CID 2767606
[3-(3-Chlorobenzyl)-2-oxoimidazolidin-1-yl]acetic acid
CID 4168955
(3-Benzyl-2-oxoimidazolidin-1-yl)acetic acid
CID 3238717
3-[(3-Chlorophenyl)methyl]-2,4,5-trioxo-1-imidazolidineacetic acid
CID 10637711

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid (CID 3240174) is 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid is O=C(O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O.
What is the InChIKey of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid?
The InChIKey is ZOTKRPMYHQFGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O3/c13-10-5-9(14)2-1-8(10)6-15-3-4-16(12(15)19)7-11(17)18/h1-2,5H,3-4,6-7H2,(H,17,18).
What are the key properties of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid?
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid has a molecular weight of 286.69 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 3240174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).